2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

C19H22FNO2S — CID 8928706

IUPAC2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO2S/c1-14-9-15(2)11-18(10-14)23-7-8-24-13-19(22)21-12-16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,21,22)
InChIKeyJXZBIBHBBFHIGG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 8928706) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID8928706
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(C)cc(OCCSCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO2S/c1-14-9-15(2)11-18(10-14)23-7-8-24-13-19(22)21-12-16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,21,22)
InChIKeyJXZBIBHBBFHIGG-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 8928675
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
2-(2-benzhydryloxyethylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 36906839
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8928696
N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31088989
4-[[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20985014
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]acetamide
CID 24574639
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 8928706) is 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(C)cc(OCCSCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is JXZBIBHBBFHIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-14-9-15(2)11-18(10-14)23-7-8-24-13-19(22)21-12-16-3-5-17(20)6-4-16/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8928706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).